CAS
914635-70-4 Purity
96%
914635-70-4 Purity
96%
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2-Bromo-3-methyl-4,4,4-trifluorobutyric acid
CAS
914635-99-7
Catalog Number
ACM914635997
Category
Other Products
Molecular Weight
234.999
Molecular Formula
C5H6BrF3O2
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Specification
Synonyms
2-Bromo-3-methyl-4,4,4-trifluorobutyric acid, 2-bromo-4,4,4-trifluoro-3-methylbutanoic acid, 914635-99-7, CTK7I4015, MolPort-001-778-524, PC9848, SBB098338, AG-A-37884, KB-88060
IUPAC Name
2-bromo-4,4,4-trifluoro-3-methylbutanoic acid
Canonical SMILES
CC(C(C(=O)O)Br)C(F)(F)F
InChI Key
QTQIBOJDKKPPQG-UHFFFAOYSA-N
Exact Mass
233.95000
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid?
The molecular formula is C5H6BrF3O2.
When was 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid first created?
It was first created in 2010-03-14.
What is the IUPAC name of 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid?
The IUPAC name is 2-bromo-4,4,4-trifluoro-3-methylbutanoic acid.
What is the InChI of 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid?
The InChI is InChI=1S/C5H6BrF3O2/c1-2(5(7,8)9)3(6)4(10)11/h2-3H,1H3,(H,10,11).
What is the molecular weight of 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid?
The molecular weight is 235.00 g/mol.
How many hydrogen bond donor counts does 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid?
The XLogP3-AA value is 2.5.
What is the topological polar surface area of 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid?
The topological polar surface area is 37.3 ?2.
How many rotatable bond counts does 2-Bromo-3-methyl-4,4,4-trifluorobutyric acid have?
It has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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